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BDBM95242 MLS003123272::N-[2-(dimethylamino)ethyl]-4-[3-(4-phenoxyphenyl)-6-imidazo[1,2-a]pyrazinyl]benzamide::N-[2-(dimethylamino)ethyl]-4-[3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide::SMR001291104::US10688093, Compound BF000334031::cid_49786470

SMILES: CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1

InChI Key: InChIKey=FEHWRQTWEMENGY-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 95242   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ADP-ribosylation factor GTPase-activating protein 1


(Rattus norvegicus)
BDBM95242
PNG
(MLS003123272 | N-[2-(dimethylamino)ethyl]-4-[3-(4-...)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H27N5O2/c1-33(2)17-16-30-29(35)23-10-8-21(9-11-23)26-20-34-27(18-32-28(34)19-31-26)22-12-14-25(15-13-22)36-24-6-4-3-5-7-24/h3-15,18-20H,16-17H2,1-2H3,(H,30,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a>1.83E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N82
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM95242
PNG
(MLS003123272 | N-[2-(dimethylamino)ethyl]-4-[3-(4-...)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H27N5O2/c1-33(2)17-16-30-29(35)23-10-8-21(9-11-23)26-20-34-27(18-32-28(34)19-31-26)22-12-14-25(15-13-22)36-24-6-4-3-5-7-24/h3-15,18-20H,16-17H2,1-2H3,(H,30,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 222n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay procedure determines the IC50 of each potential FYN kinase inhibitor by measuring the enzyme catalyzed ATP-dependent phosphorylation of the...


US Patent US10688093 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM95242
PNG
(MLS003123272 | N-[2-(dimethylamino)ethyl]-4-[3-(4-...)
Show SMILES CN(C)CCNC(=O)c1ccc(cc1)-c1cn2c(cnc2cn1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C29H27N5O2/c1-33(2)17-16-30-29(35)23-10-8-21(9-11-23)26-20-34-27(18-32-28(34)19-31-26)22-12-14-25(15-13-22)36-24-6-4-3-5-7-24/h3-15,18-20H,16-17H2,1-2H3,(H,30,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 165n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The assay procedure determines the IC50 of each potential FYN kinase inhibitor by measuring the enzyme catalyzed ATP-dependent phosphorylation of the...


US Patent US10688093 (2020)

More data for this
Ligand-Target Pair